6-[4-[(1R)-1-(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile

C21H22N6O — CID 168856720

IUPAC6-[4-[(1R)-1-(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc2ncc([C@@H](C)N3CCN(c4ccc(C#N)cn4)CC3)cc2[nH]c1=O
InChIInChI=1S/C21H22N6O/c1-14-9-18-19(25-21(14)28)10-17(13-23-18)15(2)26-5-7-27(8-6-26)20-4-3-16(11-22)12-24-20/h3-4,9-10,12-13,15H,5-8H2,1-2H3,(H,25,28)/t15-/m1/s1
InChIKeyBJLCRTZDGCPMRR-OAHLLOKOSA-N
MW374.45 g/mol
LogP2.38
Rot. Bonds3

About 6-[4-[(1R)-1-(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile

6-[4-[(1R)-1-(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 168856720) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 6-[4-[(1R)-1-(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[(1R)-1-(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID168856720
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name6-[4-[(1R)-1-(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc2ncc([C@@H](C)N3CCN(c4ccc(C#N)cn4)CC3)cc2[nH]c1=O
InChIInChI=1S/C21H22N6O/c1-14-9-18-19(25-21(14)28)10-17(13-23-18)15(2)26-5-7-27(8-6-26)20-4-3-16(11-22)12-24-20/h3-4,9-10,12-13,15H,5-8H2,1-2H3,(H,25,28)/t15-/m1/s1
InChIKeyBJLCRTZDGCPMRR-OAHLLOKOSA-N
XLogP2.38
TPSA88.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1R)-1-(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[(1R)-1-(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 168856720) is 6-[4-[(1R)-1-(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[(1R)-1-(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[(1R)-1-(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile is Cc1cc2ncc([C@@H](C)N3CCN(c4ccc(C#N)cn4)CC3)cc2[nH]c1=O.
What is the InChIKey of 6-[4-[(1R)-1-(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is BJLCRTZDGCPMRR-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22N6O/c1-14-9-18-19(25-21(14)28)10-17(13-23-18)15(2)26-5-7-27(8-6-26)20-4-3-16(11-22)12-24-20/h3-4,9-10,12-13,15H,5-8H2,1-2H3,(H,25,28)/t15-/m1/s1.
What are the key properties of 6-[4-[(1R)-1-(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-[(1R)-1-(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 374.45 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1R)-1-(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 168856720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).